3-[(2-chlorophenyl)methyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-chlorophenyl)methyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chlorophenyl)methyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chlorophenyl)methyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chlorophenyl)methyl]-4-(2-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-chlorobenzyl)-4-o-phenetyl-1H-1,2,4-triazole-5-thione Formula: C17H16ClN3OS MolecularWeight: 345.84644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=NNC2=S)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=NNC2=S)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H16ClN3OS/c1-2-22-15-10-6-5-9-14(15)21-16(19-20-17(21)23)11-12-7-3-4-8-13(12)18/h3-10H,2,11H2,1H3,(H,20,23)